The Three-Dimensional Fourier Grid Hamiltonian Method

The 3-dimensional Fourier grid Hamiltonian method

A method to compute the bound state eigenvalues and eigenfunctions of a Schrödinger equation or a spinless Salpeter equation with central interaction is presented. This method is the generalization to the three-dimensional case of the Fourier grid Hamiltonian method for one-dimensional Schrödinger equation. It requires only the evaluation of the potential at equally spaced grid points and yield...

A Hamiltonian System Method for Three-Dimensional Viscoelastic Solids

This paper introduces the Hamiltonian system into quasi-static problems of 3D viscoelastic solids. Based on the principle of elastic-viscoelastic correspondence, the problem of solving partial differential equations is reduced to finding general eigensolutions of the dual equations, and all analytical fundamental eigensolutions and their corresponding Jordan forms are derived. After the symplec...

Three - Dimensional Grid

Fourier grid Hamiltonian multiconfigurational self-consistent-field: A method to calculate multidimensional hydrogen vibrational wavefunctions

The Fourier Grid Hamiltonian Multiconfigurational Self-Consistent-Field ~FGH-MCSCF! method for calculating vibrational wavefunctions is presented. This method is designed to calculate multidimensional hydrogen nuclear wavefunctions for use in mixed quantum/classical molecular dynamics simulations of hydrogen transfer reactions. The FGH-MCSCF approach combines a MCSCF variational method, which d...

Three-Dimensional Grid Adaptation Using a Mixed-Element Decomposition Method

A new method for adaptive refinement of unstructured grids has been developed. This method ensures preservation of the element quality and the structural anisotropies of the initial grid. The flexibility of unstructured grids in combination with the implemented error estimation provides a powerful basis for three-dimensional simulation of tiine dependent processes.